3,3'-Sulphonyldianiline

C₁₂H₁₂N₂O₂SCAS 599-61-1248.30 g/mol

Open in Covalent MOL file

Primary amine Sulfone

Properties

Molecular formula: C₁₂H₁₂N₂O₂S
Molar mass: 248.30 g/mol
Exact mass: 248.0619 Da
Melting point: 168–169 °C
logP: 1.68Crippen estimate
Polar surface area: 86.2 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed46.8% of notifiers
H315 Causes skin irritation50.6% of notifiers
H319 Causes serious eye irritation41.8% of notifiers
H335 May cause respiratory irritation40.5% of notifiers
H371 May cause damage to organs44.3% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure45.6% of notifiers
H411 Toxic to aquatic life with long lasting effects48.1% of notifiers

Aggregated from 158 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P308+P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

599-61-1

SMILES

Nc1cccc(S(=O)(=O)c2cccc(N)c2)c1

InChIKey

LJGHYPLBDBRCRZ-UHFFFAOYSA-N

InChI

InChI=1S/C12H12N2O2S/c13-9-3-1-5-11(7-9)17(15,16)12-6-2-4-10(14)8-12/h1-8H,13-14H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

22 names · show all

3,3′-Diaminodiphenyl sulfone
Benzenamine, 3,3′-sulfonylbis-
Aniline, 3,3′-sulfonyldi-
3,3′-Sulfonylbis[benzenamine]
Bis(m-aminophenyl) sulfone
3,3′-Diaminophenyl sulfone
Bis(3-aminophenyl) sulfone
3,3′-Sulfonyldianiline
3,3′-Sulfonylbis(aniline)
DAS (crosslinking agent)
DAS
HT 9719
C 600 (Hardener)
C 600
NSC 20610
Aradur 9719-1
3,3′-DDS
3,3′-DAS
Omicure 33DDS
C 10
C 10 (Hardener)
Aradur 9771-1

Work with 3,3'-Sulphonyldianiline

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Aminobenzenesulfonamide98-18-064 % similar Metanilic acid121-47-162 % similar 3-(Methylsulphonyl)aniline35216-39-862 % similar Sodium m-aminobenzenesulfonate1126-34-758 % similar 3,3′-[Sulfonylbis(4,1-phenyleneoxy)]bis[benzenamine]30203-11-358 % similar 3-((Trifluoromethyl)sulfonyl)aniline426-59-556 % similar M-Phenylenediamine108-45-252 % similar 3,3′-Sulfonylbis[phenol]46765-03-152 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Ethyl 2-amino-4-phenyl-5-thiazolecarboxylate64399-23-1 Enoximone77671-31-9 Dapsone80-08-0 3-Amino-N-phenylbenzenesulfonamide80-21-7

Elsewhere

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